BQI
概要
| 表記: | 5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine |
| 別名: | ADX88178 |
| 組成式: | C12 H12 N6 S |
| 電荷: | 0 |
| 化学式量: | 272.329 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-~{N}-(4-methylpyrimidin-2-yl)-4-(1~{H}-pyrazol-4-yl)-1,3-thiazol-2-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18) |
| InChIKey | InChI | 1.06 | MIQNXKWDQRNHAU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(Nc2nccc(C)n2)nc1c3c[nH]nc3 |
| SMILES | CACTVS | 3.385 | Cc1sc(Nc2nccc(C)n2)nc1c3c[nH]nc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(n1)Nc2nc(c(s2)C)c3c[nH]nc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(n1)Nc2nc(c(s2)C)c3c[nH]nc3 |
